4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine

C11H9F3N4 — CID 122490227

IUPAC4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
SMILESCc1cc(C)nc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C11H9F3N4/c1-6-3-7(2)18-9(17-6)8-4-15-10(16-5-8)11(12,13)14/h3-5H,1-2H3
InChIKeyGONHJHRGMWDQKX-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.57
Rot. Bonds1

About 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine

4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine (PubChem CID 122490227) has the molecular formula C11H9F3N4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
PubChem CID122490227
Molecular FormulaC11H9F3N4
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine
SMILESCc1cc(C)nc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C11H9F3N4/c1-6-3-7(2)18-9(17-6)8-4-15-10(16-5-8)11(12,13)14/h3-5H,1-2H3
InChIKeyGONHJHRGMWDQKX-UHFFFAOYSA-N
XLogP2.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine (CID 122490227) is 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine is Cc1cc(C)nc(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
The InChIKey is GONHJHRGMWDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4/c1-6-3-7(2)18-9(17-6)8-4-15-10(16-5-8)11(12,13)14/h3-5H,1-2H3.
What are the key properties of 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine?
4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine has a molecular weight of 254.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidine is sourced from PubChem (CID 122490227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).